%chk=000058781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058781

0 1
 O    2.649300      0.2688000       1.791700    
 O   8.9100003E-02  -1.408500     -9.6900001E-02
 O   0.9078000      -1.731100       2.033200    
 N   -2.683600     -0.8673000     -0.2188000    
 C   -3.847900     -0.1122000      0.2776000    
 C    2.852900     -0.4900000     -0.4424000    
 C   -4.305900      0.5749000      -1.016900    
 C    3.618100      -1.741500     -2.4100000E-02
 C    3.978600      0.4996000     -0.7270000    
 C    1.879500     -1.4000000E-03  0.6159000    
 C   -3.053000      -1.436600      -1.516900    
 C   -4.042100     -0.4455000      -2.116600    
 C    4.803900      -1.784900     -0.9822000    
 C    5.043600     -0.3405000      -1.425300    
 C   -2.126300      -1.866300      0.6801000    
 C   -4.979900     -0.9796000      0.8601000    
 C   -3.428000      0.9393000       1.312700    
 C    1.115400       1.273800      0.2858000    
 C   0.9211000      -1.141400      0.9594000    
 C  -0.8504000      -2.456800      0.1016000    
 C   0.8155000       2.153300       1.305300    
 C   0.7473000       1.510000      -1.022600    
 C   0.1157000       3.321500       1.003000    
 C   4.7699999E-02   2.678300      -1.324700    
 C  -0.2682000       3.584000     -0.3119000    
 H    2.339900     -0.7291000      -1.383500    
 H   -5.357200      0.8814000     -0.9946000    
 H   -3.707900       1.473700      -1.218900    
 H    3.014800      -2.652000     -0.1003000    
 H    4.007900      -1.685600      0.9973000    
 H    4.403500      0.9184000      0.1927000    
 H    3.662200       1.337200      -1.355900    
 H   -3.533200      -2.418500      -1.422700    
 H   -2.184500      -1.539900      -2.175700    
 H   -3.640700      4.3699998E-02  -3.010500    
 H   -4.969600     -0.9560000      -2.399000    
 H    5.689300      -2.216600     -0.5046000    
 H    4.566800      -2.405000      -1.854500    
 H    4.938300     -0.2642000      -2.513700    
 H    6.051400      1.5000000E-03  -1.168900    
 H   -2.836000      -2.678900      0.8754000    
 H   -1.888400      -1.399600       1.642300    
 H   -4.672700      -1.470900       1.789800    
 H   -5.308100      -1.757800      0.1629000    
 H   -5.856500     -0.3638000       1.093200    
 H   -4.262400       1.610700       1.545800    
 H   -2.603600       1.558800      0.9427000    
 H   -3.101200      0.4788000       2.251000    
 H   -1.013500      -2.954900     -0.8593000    
 H  -0.4522000      -3.231200      0.7688000    
 H    2.875500     -0.5687000       2.228500    
 H    1.082800       1.969000       2.340900    
 H   0.9581000      0.8205000      -1.831700    
 H  -0.1354000       4.024200       1.792100    
 H  -0.2566000       2.880400      -2.347500    
 H  -0.8157000       4.492000     -0.5469000    


%chk=000058781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058781

0 1
O 2.524497 0.186035 1.995612
O 0.212320 -1.603357 -0.193637
O 0.521087 -1.563219 2.111236
N -2.762154 -1.101759 -0.349311
C -3.791108 -0.192925 0.269384
C 2.863433 -0.420345 -0.357728
C -4.240892 0.602788 -0.986713
C 3.610849 -1.740204 -0.041721
C 4.018651 0.599410 -0.527785
C 1.820698 0.003733 0.724832
C -3.246129 -1.543206 -1.682809
C -4.248101 -0.439887 -2.140143
C 4.852722 -1.711685 -0.978115
C 5.126425 -0.195447 -1.279029
C -2.167350 -2.139595 0.490967
C -4.991006 -0.974137 0.888998
C -3.151068 0.726045 1.331072
C 1.099667 1.314400 0.321010
C 0.783922 -1.124596 0.959194
C -0.827253 -2.671415 -0.042793
C 1.310496 2.485009 1.088265
C 0.275243 1.380518 -0.831257
C 0.707135 3.706231 0.711138
C -0.323923 2.602877 -1.207742
C -0.110500 3.771695 -0.440190
H 2.317146 -0.526504 -1.315622
H -5.224694 1.082565 -0.840090
H -3.495711 1.393711 -1.186690
H 2.985319 -2.638328 -0.198932
H 3.923453 -1.718766 1.018891
H 4.368623 0.902308 0.475914
H 3.707553 1.510641 -1.067563
H -3.754150 -2.539592 -1.632428
H -2.397307 -1.648987 -2.385473
H -3.951445 0.014927 -3.100363
H -5.256348 -0.868774 -2.278585
H 5.723186 -2.205607 -0.510237
H 4.640375 -2.255870 -1.917280
H 5.071364 -0.005356 -2.367084
H 6.134252 0.114733 -0.949635
H -2.822414 -3.048106 0.594079
H -2.005372 -1.741401 1.506327
H -4.657564 -1.618923 1.723361
H -5.490237 -1.615422 0.138717
H -5.743160 -0.271330 1.292281
H -3.874272 1.497738 1.653679
H -2.260788 1.227575 0.914334
H -2.844286 0.166177 2.234735
H -0.913539 -3.073551 -1.064235
H -0.434479 -3.444345 0.642697
H 2.005867 -0.310163 2.689903
H 1.955827 2.418926 1.968636
H 0.077767 0.476983 -1.416325
H 0.880150 4.605577 1.313446
H -0.960683 2.640724 -2.099483
H -0.576793 4.718976 -0.734411


